N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide

C19H21BrN2O2 — CID 108947405

IUPACN'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-3-22(13-15-7-5-4-6-8-15)19(24)12-18(23)21-17-10-9-14(2)11-16(17)20/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyVWUWTTVTROJYFV-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.13
Rot. Bonds6

About N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide

N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide (PubChem CID 108947405) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide
PubChem CID108947405
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-3-22(13-15-7-5-4-6-8-15)19(24)12-18(23)21-17-10-9-14(2)11-16(17)20/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyVWUWTTVTROJYFV-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
CID 108947341
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953221
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
CID 108947379
3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide
CID 109031851
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide
CID 108947354
N'-(2-bromo-4-methylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945667
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992909
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide?
The IUPAC name of N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide (CID 108947405) is N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide.
What is the SMILES notation for N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide?
The canonical SMILES for N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide is CCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide?
The InChIKey is VWUWTTVTROJYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-3-22(13-15-7-5-4-6-8-15)19(24)12-18(23)21-17-10-9-14(2)11-16(17)20/h4-11H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide?
N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide has a molecular weight of 389.29 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide is sourced from PubChem (CID 108947405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).